1-(2-azidoethoxymethyl)-5-methylpyrimidine-2,4-dione

C8H11N5O3 — CID 14843058

IUPAC1-(2-azidoethoxymethyl)-5-methylpyrimidine-2,4-dione
SMILESCc1cn(COCCN=[N+]=[N-])c(=O)[nH]c1=O
InChIInChI=1S/C8H11N5O3/c1-6-4-13(8(15)11-7(6)14)5-16-3-2-10-12-9/h4H,2-3,5H2,1H3,(H,11,14,15)
InChIKeyVKIRDSXRJLNTGH-UHFFFAOYSA-N
MW225.21 g/mol
LogP0.13
Rot. Bonds5

About 1-(2-azidoethoxymethyl)-5-methylpyrimidine-2,4-dione

1-(2-azidoethoxymethyl)-5-methylpyrimidine-2,4-dione (PubChem CID 14843058) has the molecular formula C8H11N5O3 and a molecular weight of 225.21 g/mol. Its IUPAC name is 1-(2-azidoethoxymethyl)-5-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1-(2-azidoethoxymethyl)-5-methylpyrimidine-2,4-dione
PubChem CID14843058
Molecular FormulaC8H11N5O3
Molecular Weight225.21 g/mol
Exact Mass225.09
IUPAC Name1-(2-azidoethoxymethyl)-5-methylpyrimidine-2,4-dione
SMILESCc1cn(COCCN=[N+]=[N-])c(=O)[nH]c1=O
InChIInChI=1S/C8H11N5O3/c1-6-4-13(8(15)11-7(6)14)5-16-3-2-10-12-9/h4H,2-3,5H2,1H3,(H,11,14,15)
InChIKeyVKIRDSXRJLNTGH-UHFFFAOYSA-N
XLogP0.13
TPSA112.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.21
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-azidoethoxymethyl)-5-methylpyrimidine-2,4-dione?
The IUPAC name of 1-(2-azidoethoxymethyl)-5-methylpyrimidine-2,4-dione (CID 14843058) is 1-(2-azidoethoxymethyl)-5-methylpyrimidine-2,4-dione.
What is the SMILES notation for 1-(2-azidoethoxymethyl)-5-methylpyrimidine-2,4-dione?
The canonical SMILES for 1-(2-azidoethoxymethyl)-5-methylpyrimidine-2,4-dione is Cc1cn(COCCN=[N+]=[N-])c(=O)[nH]c1=O.
What is the InChIKey of 1-(2-azidoethoxymethyl)-5-methylpyrimidine-2,4-dione?
The InChIKey is VKIRDSXRJLNTGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5O3/c1-6-4-13(8(15)11-7(6)14)5-16-3-2-10-12-9/h4H,2-3,5H2,1H3,(H,11,14,15).
What are the key properties of 1-(2-azidoethoxymethyl)-5-methylpyrimidine-2,4-dione?
1-(2-azidoethoxymethyl)-5-methylpyrimidine-2,4-dione has a molecular weight of 225.21 g/mol, XLogP of 0.13, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-azidoethoxymethyl)-5-methylpyrimidine-2,4-dione is sourced from PubChem (CID 14843058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).